SCHEMBL29668762

SCHEMBL29668762

COC1CN(Cc2cccc(F)c2CN)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.46
SCN5A Q14524 2/20 0.46
SCN8A Q9UQD0 2/20 0.46
CD274 Q9NZQ7 7/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
POLB P06746 1/20 0.39
DRD4 P21917 1/20 0.38
ADRA1A P35348 1/20 0.38
SMO Q99835 1/20 0.38
EED O75530 5/20 0.37
PDCD1 Q15116 6/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20238359 1.00 SCN1A (0.46) SCN1ASCN5ASCN8ACD274PDCD1LG2
SCHEMBL20252615 0.84 SCN1A (0.44) SCN1ASCN5ASCN8APOLBEED
SCHEMBL31018058 0.84 SCN1A (0.44) SCN1ASCN5ASCN8APOLBEED
SCHEMBL20238636 0.82 SCN1A (0.43) SCN1ASCN5ASCN8ACD274PDCD1LG2
SCHEMBL29668726 0.82 SCN1A (0.43) SCN1ASCN5ASCN8ACD274PDCD1LG2
Methylamine SCHEMBL20238761 0.78 ALDH1A1 (0.56) SCN1ASCN5ASCN8APOLBALDH1A1
SCHEMBL28740436 0.78 SCN1A (0.42) SCN1ASCN5ASCN8ACD274PDCD1LG2
SCHEMBL20238513 0.77 CD274 (0.40) SCN1ASCN5ASCN8ACD274PDCD1LG2
SCHEMBL29668760 0.76 ALDH1A1 (0.62) SCN1ASCN5ASCN8APOLBALDH1A1
SCHEMBL20237531 0.76 ALDH1A1 (0.62) SCN1ASCN5ASCN8APOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed